Geometry & MOs

Info

ID:	122028
PubChem CID:	50790189
Reduced:	FN3O3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	1.64
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)N2CC3=CC=CC=C3N4C=CC=C4C2C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations